Related references
Note: Only part of the references are listed.Update on the Discovery and Development of Cholesteryl Ester Transfer Protein Inhibitors for Reducing Residual Cardiovascular Risk
Nathan B. Mantlo et al.
JOURNAL OF MEDICINAL CHEMISTRY (2014)
The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations
Michael D. Shultz
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2013)
Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters
Michael D. Shultz
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2013)
Lipophilic efficiency: the most important efficiency metric in medicinal chemistry
Kevin D. Freeman-Cook et al.
FUTURE MEDICINAL CHEMISTRY (2013)
3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models
Michael Soth et al.
JOURNAL OF MEDICINAL CHEMISTRY (2013)
Discovery of Agonists of Cannabinoid Receptor 1 with Restricted Central Nervous System Penetration Aimed for Treatment of Gastroesophageal Reflux Disease
Alleyn T. Plowright et al.
JOURNAL OF MEDICINAL CHEMISTRY (2013)
Design and Synthesis of Diazatricyclodecane Agonists of the G-Protein-Coupled Receptor 119
Etzer Darout et al.
JOURNAL OF MEDICINAL CHEMISTRY (2013)
How Are Fragments Optimized? A Retrospective Analysis of 145 Fragment Optimizations
Gyoergy G. Ferenczy et al.
JOURNAL OF MEDICINAL CHEMISTRY (2013)
Fragment-based lead discovery grows up
Monya Baker
NATURE REVIEWS DRUG DISCOVERY (2013)
The 'rule of three' for fragment-based drug discovery: where are we now?
Harren Jhoti et al.
NATURE REVIEWS DRUG DISCOVERY (2013)
Design, synthesis and structure-activity-relationship of 1,5-tetrahydronaphthyridines as CETP inhibitors
Maria-Carmen Fernandez et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2012)
Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis
John G. Cumming et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2012)
New molecular insights into CETP structure and function: a review
M. Arthur Charles et al.
JOURNAL OF LIPID RESEARCH (2012)
Diphenylpyridylethanamine (DPPE) Derivatives as Cholesteryl Ester Transfer Protein (CETP) Inhibitors
Lalgudi S. Harikrishnan et al.
JOURNAL OF MEDICINAL CHEMISTRY (2012)
Impact of Lipophilic Efficiency on Compound Quality
Akos Tarcsay et al.
JOURNAL OF MEDICINAL CHEMISTRY (2012)
In vitro measurement of drug efficiency index to aid early lead optimization
Klara Valko et al.
JOURNAL OF PHARMACEUTICAL SCIENCES (2012)
Quantifying the chemical beauty of drugs
G. Richard Bickerton et al.
NATURE CHEMISTRY (2012)
Finding the sweet spot: the role of nature and nurture in medicinal chemistry
Michael M. Hann et al.
NATURE REVIEWS DRUG DISCOVERY (2012)
What Can We Learn from the Evolution of Protein-Ligand Interactions to Aid the Design of New Therapeutics?
Alicia P. Higueruelo et al.
PLOS ONE (2012)
Molecular conformations, interactions, and properties associated with drug efficiency and clinical performance among VEGFR TK inhibitors
Michele McTigue et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules
Tim Luker et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2011)
2-Arylbenzoxazoles as CETP inhibitors: Raising HDL-C in cynoCETP transgenic mice
Florida Kallashi et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2011)
2-(4-Carbonylphenyl)benzoxazole inhibitors of CETP: Attenuation of hERG binding and improved HDLc-raising efficacy
Ramzi F. Sweis et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2011)
The successful quest for oral factor Xa inhibitors; learnings for all of medicinal chemistry?
Robert J. Young
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2011)
Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity
Robert J. Young et al.
DRUG DISCOVERY TODAY (2011)
What Do Medicinal Chemists Actually Make? A 50-Year Retrospective
W. Patrick Walters et al.
JOURNAL OF MEDICINAL CHEMISTRY (2011)
Discovery and development of telaprevir: an NS3-4A protease inhibitor for treating genotype 1 chronic hepatitis C virus
Ann D. Kwong et al.
NATURE BIOTECHNOLOGY (2011)
Comprehensive analysis of kinase inhibitor selectivity
Mindy I. Davis et al.
NATURE BIOTECHNOLOGY (2011)
The influence of the 'organizational factor' on compound quality in drug discovery
Paul D. Leeson et al.
NATURE REVIEWS DRUG DISCOVERY (2011)
Probing the links between in vitro potency, ADMET and physicochemical parameters
M. Paul Gleeson et al.
NATURE REVIEWS DRUG DISCOVERY (2011)
Impact of ion class and time on oral drug molecular properties
Paul D. Leeson et al.
MEDCHEMCOMM (2011)
Molecular obesity, potency and other addictions in drug discovery
Michael M. Hann
MEDCHEMCOMM (2011)
Thermodynamics of Ligand Binding and Efficiency
Charles H. Reynolds et al.
ACS MEDICINAL CHEMISTRY LETTERS (2011)
Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds
Christopher Southan et al.
JOURNAL OF CHEMINFORMATICS (2011)
Defining Desirable Central Nervous System Drug Space through the Alignment of Molecular Properties, in Vitro ADME, and Safety Attributes
Travis T. Wager et al.
ACS CHEMICAL NEUROSCIENCE (2010)
2-Arylbenzoxazoles as CETP inhibitors: Substitution and modification of the α-alkoxyamide moiety
Julianne A. Hunt et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2010)
Small Molecule Antagonists of the Chemokine Receptor CCR5
Remy C. Lemoine et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2010)
Computational Approaches for Fragment-Based and De Novo Design
Kathryn Loving et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2010)
Thermodynamics guided lead discovery and optimization
Gyoergy G. Ferenczy et al.
DRUG DISCOVERY TODAY (2010)
5TH DRUG DESIGN & LEAD DISCOVERY CONFERENCE 2009: LEAD FINDING STRATEGIES AND OPTIMIZATION CASE STUDIES
Gyoergy M. Keserue
DRUGS OF THE FUTURE (2010)
Lipophilicity in drug discovery
Michael J. Waring
EXPERT OPINION ON DRUG DISCOVERY (2010)
Enthalpic Efficiency of Ligand Binding
Gyoergy G. Ferenczy et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
An Analysis of the Binding Efficiencies of Drugs and Their Leads in Successful Drug Discovery Programs
Emanuele Perola
JOURNAL OF MEDICINAL CHEMISTRY (2010)
Discovery of (2,4-Dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design
Andrew J. Woodhead et al.
JOURNAL OF MEDICINAL CHEMISTRY (2010)
Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency
Christopher W. Murray et al.
JOURNAL OF MEDICINAL CHEMISTRY (2010)
Adding calorimetric data to decision making in lead discovery: a hot tip
John E. Ladbury et al.
NATURE REVIEWS DRUG DISCOVERY (2010)
Using the Golden Triangle to optimize clearance and oral absorption
Ted W. Johnson et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2009)
Defining optimum lipophilicity and molecular weight ranges for drug candidates-Molecular weight dependent lower logD limits based on permeability
Michael J. Waring
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2009)
A Thermodynamic Approach to the Affinity Optimization of Drug Candidates
Ernesto Freire
CHEMICAL BIOLOGY & DRUG DESIGN (2009)
Simple Size-Independent Measure of Ligand Efficiency
J. Willem M. Nissink
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Discovery of 1-[9-(4-Chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl]-4-ethylaminopiperidine-4-carboxylic Acid Amide Hydrochloride (CP-945,598), a Novel, Potent, and Selective Cannabinoid Type 1 Receptor Antagonist
David A. Griffith et al.
JOURNAL OF MEDICINAL CHEMISTRY (2009)
Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
Frank Lovering et al.
JOURNAL OF MEDICINAL CHEMISTRY (2009)
Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of Log P Methods on More Than 96,000 Compounds
Raimund Mannhold et al.
JOURNAL OF PHARMACEUTICAL SCIENCES (2009)
The influence of lead discovery strategies on the properties of drug candidates
Gyoergy M. Keserue et al.
NATURE REVIEWS DRUG DISCOVERY (2009)
2-Arylbenzoxazoles as novel cholesteryl ester transfer protein inhibitors: Optimization via array synthesis
Lalgudi S. Harikrishnan et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2008)
Physiochemical drug properties associated with in vivo toxicological outcomes
Jason D. Hughes et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2008)
Group efficiency: A guideline for hits-to-leads chemistry
Marcel L. Verdonk et al.
CHEMMEDCHEM (2008)
Medicinal chemistry of Hsp90 inhibitors
Martin J. Drysdale et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2008)
Do enthalpy and entropy distinguish first in class from best in class?
Ernesto Freire
DRUG DISCOVERY TODAY (2008)
Ligand binding efficiency: Trends, physical basis, and implications
Charles H. Reynolds et al.
JOURNAL OF MEDICINAL CHEMISTRY (2008)
Generation of a set of simple, interpretable ADMET rules of thumb
M. Paul Gleeson
JOURNAL OF MEDICINAL CHEMISTRY (2008)
The Thermodynamics of Protein-Ligand Interaction and Solvation: Insights for Ligand Design
Tjelvar S. G. Olsson et al.
JOURNAL OF MOLECULAR BIOLOGY (2008)
Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
James Tsai et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
The influence of drug-like concepts on decision-making in medicinal chemistry
Paul D. Leeson et al.
NATURE REVIEWS DRUG DISCOVERY (2007)
The role of molecular size in ligand efficiency
Charles H. Reynolds et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2007)
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
Tiqing Liu et al.
NUCLEIC ACIDS RESEARCH (2007)
Ligand efficiency indices for effective drug discovery
Cele Abad-Zapatero
EXPERT OPINION ON DRUG DISCOVERY (2007)
Global mapping of pharmacological space
Gaia V. Paolini et al.
NATURE BIOTECHNOLOGY (2006)
Dependence of molecular properties on proteomic family for marketed oral drugs
Michal Vieth et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
The influence of target family and functional activity on the physicochemical properties of pre-clinical compounds
Richard Morphy
JOURNAL OF MEDICINAL CHEMISTRY (2006)
The evolution of synthetic oral drug properties
JR Proudfoot
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2005)
Time-related differences in the physical property profiles of oral drugs
PD Leeson et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
A comparison of physiochemical property profiles of development and marketed oral drugs
MC Wenlock et al.
JOURNAL OF MEDICINAL CHEMISTRY (2003)
Is there a difference between leads and drugs? A historical perspective
TI Oprea et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)
Molecular complexity and its impact on the probability of finding leads for drug discovery
MM Hann et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)